# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = TaW2Zr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.444009504e+02 4.444009504e+02 1.30 4.115924348e+02 4.115924348e+02 1.32 3.812640200e+02 3.812640200e+02 1.34 3.532044533e+02 3.532044533e+02 1.36 3.272207261e+02 3.272207261e+02 1.38 3.031376169e+02 3.031376169e+02 1.40 2.807978946e+02 2.807978946e+02 1.42 2.600615367e+02 2.600615367e+02 1.44 2.408034903e+02 2.408034903e+02 1.46 2.229109721e+02 2.229109721e+02 1.48 2.062812227e+02 2.062812227e+02 1.50 1.908199393e+02 1.908199393e+02 1.52 1.764404903e+02 1.764404903e+02 1.54 1.630639096e+02 1.630639096e+02 1.56 1.506191991e+02 1.506191991e+02 1.58 1.390433031e+02 1.390433031e+02 1.60 1.282801584e+02 1.282801584e+02 1.62 1.182789176e+02 1.182789176e+02 1.64 1.089919641e+02 1.089919641e+02 1.66 1.003734092e+02 1.003734092e+02 1.68 9.237836966e+01 9.237836966e+01 1.70 8.496299357e+01 8.496299357e+01 1.72 7.808489712e+01 7.808489712e+01 1.74 7.170373251e+01 7.170373251e+01 1.76 6.578165639e+01 6.578165639e+01 1.78 6.028364018e+01 6.028364018e+01 1.80 5.517757595e+01 5.517757595e+01 1.82 5.043425564e+01 5.043425564e+01 1.84 4.602717413e+01 4.602717413e+01 1.86 4.193233605e+01 4.193233605e+01 1.88 3.812801906e+01 3.812801906e+01 1.90 3.459450625e+01 3.459450625e+01 1.92 3.131371176e+01 3.131371176e+01 1.94 2.826878446e+01 2.826878446e+01 1.96 2.544371720e+01 2.544371720e+01 1.98 2.282312636e+01 2.282312636e+01 2.00 2.039219625e+01 2.039219625e+01 2.02 1.813679201e+01 1.813679201e+01 2.04 1.604579734e+01 1.604579734e+01 2.06 1.410981275e+01 1.410981275e+01 2.08 1.231674140e+01 1.231674140e+01 2.10 1.065511011e+01 1.065511011e+01 2.12 9.114269924e+00 9.114269924e+00 2.14 7.684434264e+00 7.684434264e+00 2.16 6.356753377e+00 6.356753377e+00 2.18 5.123358015e+00 5.123358015e+00 2.20 3.977345482e+00 3.977345482e+00 2.22 2.912681879e+00 2.912681879e+00 2.24 1.924062354e+00 1.924062354e+00 2.26 1.006759188e+00 1.006759188e+00 2.28 1.564795420e-01 1.564795420e-01 2.30 -6.307387716e-01 -6.307387716e-01 2.32 -1.358632980e+00 -1.358632980e+00 2.34 -2.030751730e+00 -2.030751730e+00 2.36 -2.650507652e+00 -2.650507652e+00 2.38 -3.221185094e+00 -3.221185094e+00 2.40 -3.745936310e+00 -3.745936310e+00 2.42 -4.227773685e+00 -4.227773685e+00 2.44 -4.669555199e+00 -4.669555199e+00 2.46 -5.073979507e+00 -5.073979507e+00 2.48 -5.443578768e+00 -5.443578768e+00 2.50 -5.780711848e+00 -5.780711848e+00 2.52 -6.087556295e+00 -6.087556295e+00 2.54 -6.366100663e+00 -6.366100663e+00 2.56 -6.618140909e+00 -6.618140909e+00 2.58 -6.845285301e+00 -6.845285301e+00 2.60 -7.048970529e+00 -7.048970529e+00 2.62 -7.230485553e+00 -7.230485553e+00 2.64 -7.391013285e+00 -7.391013285e+00 2.66 -7.531645792e+00 -7.531645792e+00 2.68 -7.653422863e+00 -7.653422863e+00 2.70 -7.757348512e+00 -7.757348512e+00 2.72 -7.844403174e+00 -7.844403174e+00 2.74 -7.915548925e+00 -7.915548925e+00 2.76 -7.971633362e+00 -7.971633362e+00 2.78 -8.013530996e+00 -8.013530996e+00 2.80 -8.042278327e+00 -8.042278327e+00 2.82 -8.058789378e+00 -8.058789378e+00 2.84 -8.064051546e+00 -8.064051546e+00 2.86 -8.059056619e+00 -8.059056619e+00 2.88 -8.044798550e+00 -8.044798550e+00 2.90 -8.022122251e+00 -8.022122251e+00 2.92 -7.991717179e+00 -7.991717179e+00 2.94 -7.953721775e+00 -7.953721775e+00 2.96 -7.908175370e+00 -7.908175370e+00 2.98 -7.855202181e+00 -7.855202181e+00 3.00 -7.794873179e+00 -7.794873179e+00 3.02 -7.727265954e+00 -7.727265954e+00 3.04 -7.652409109e+00 -7.652409109e+00 3.06 -7.570311346e+00 -7.570311346e+00 3.08 -7.481028449e+00 -7.481028449e+00 3.10 -7.384648223e+00 -7.384648223e+00 3.12 -7.281264204e+00 -7.281264204e+00 3.14 -7.170973605e+00 -7.170973605e+00 3.16 -7.053854233e+00 -7.053854233e+00 3.18 -6.929979316e+00 -6.929979316e+00 3.20 -6.799422652e+00 -6.799422652e+00 3.22 -6.662272477e+00 -6.662272477e+00 3.24 -6.518649248e+00 -6.518649248e+00 3.26 -6.368725565e+00 -6.368725565e+00 3.28 -6.212745877e+00 -6.212745877e+00 3.30 -6.051043371e+00 -6.051043371e+00 3.32 -5.884051760e+00 -5.884051760e+00 3.34 -5.712310697e+00 -5.712310697e+00 3.36 -5.536464762e+00 -5.536464762e+00 3.38 -5.357256886e+00 -5.357256886e+00 3.40 -5.175516251e+00 -5.175516251e+00 3.42 -4.992146809e+00 -4.992146809e+00 3.44 -4.808101407e+00 -4.808101407e+00 3.46 -4.624361655e+00 -4.624361655e+00 3.48 -4.441907817e+00 -4.441907817e+00 3.50 -4.261686667e+00 -4.261686667e+00 3.52 -4.084578600e+00 -4.084578600e+00 3.54 -3.911367162e+00 -3.911367162e+00 3.56 -3.742714229e+00 -3.742714229e+00 3.58 -3.579143480e+00 -3.579143480e+00 3.60 -3.421033698e+00 -3.421033698e+00 3.62 -3.268622136e+00 -3.268622136e+00 3.64 -3.122016929e+00 -3.122016929e+00 3.66 -2.981216613e+00 -2.981216613e+00 3.68 -2.846134220e+00 -2.846134220e+00 3.70 -2.716623322e+00 -2.716623322e+00 3.72 -2.592503515e+00 -2.592503515e+00 3.74 -2.473583315e+00 -2.473583315e+00 3.76 -2.359678894e+00 -2.359678894e+00 3.78 -2.250627679e+00 -2.250627679e+00 3.80 -2.146296344e+00 -2.146296344e+00 3.82 -2.046583237e+00 -2.046583237e+00 3.84 -1.951415705e+00 -1.951415705e+00 3.86 -1.860743219e+00 -1.860743219e+00 3.88 -1.774527522e+00 -1.774527522e+00 3.90 -1.692731335e+00 -1.692731335e+00 3.92 -1.615305208e+00 -1.615305208e+00 3.94 -1.542186521e+00 -1.542186521e+00 3.96 -1.473279468e+00 -1.473279468e+00 3.98 -1.408461302e+00 -1.408461302e+00 4.00 -1.347580034e+00 -1.347580034e+00 4.02 -1.290457562e+00 -1.290457562e+00 4.04 -1.236894854e+00 -1.236894854e+00 4.06 -1.186678226e+00 -1.186678226e+00 4.08 -1.139585860e+00 -1.139585860e+00 4.10 -1.095388170e+00 -1.095388170e+00 4.12 -1.053877001e+00 -1.053877001e+00 4.14 -1.014832015e+00 -1.014832015e+00 4.16 -9.780502702e-01 -9.780502702e-01 4.18 -9.433414249e-01 -9.433414249e-01 4.20 -9.105293305e-01 -9.105293305e-01 4.22 -8.794520057e-01 -8.794520057e-01 4.24 -8.499616810e-01 -8.499616810e-01 4.26 -8.219244210e-01 -8.219244210e-01 4.28 -7.952194472e-01 -7.952194472e-01 4.30 -7.697382728e-01 -7.697382728e-01 4.32 -7.453837348e-01 -7.453837348e-01 4.34 -7.220689877e-01 -7.220689877e-01 4.36 -6.997165008e-01 -6.997165008e-01 4.38 -6.782570933e-01 -6.782570933e-01 4.40 -6.576290246e-01 -6.576290246e-01 4.42 -6.377771516e-01 -6.377771516e-01 4.44 -6.186521597e-01 -6.186521597e-01 4.46 -6.002098674e-01 -6.002098674e-01 4.48 -5.824106035e-01 -5.824106035e-01 4.50 -5.652186527e-01 -5.652186527e-01 4.52 -5.486017653e-01 -5.486017653e-01 4.54 -5.325307259e-01 -5.325307259e-01 4.56 -5.169789742e-01 -5.169789742e-01 4.58 -5.019222740e-01 -5.019222740e-01 4.60 -4.873384236e-01 -4.873384236e-01 4.62 -4.732070041e-01 -4.732070041e-01 4.64 -4.595091599e-01 -4.595091599e-01 4.66 -4.462274078e-01 -4.462274078e-01 4.68 -4.333454708e-01 -4.333454708e-01 4.70 -4.208481337e-01 -4.208481337e-01 4.72 -4.087211166e-01 -4.087211166e-01 4.74 -3.969509652e-01 -3.969509652e-01 4.76 -3.855249545e-01 -3.855249545e-01 4.78 -3.744310039e-01 -3.744310039e-01 4.80 -3.636544265e-01 -3.636544265e-01 4.82 -3.531911114e-01 -3.531911114e-01 4.84 -3.430266864e-01 -3.430266864e-01 4.86 -3.331510029e-01 -3.331510029e-01 4.88 -3.235542568e-01 -3.235542568e-01 4.90 -3.142269470e-01 -3.142269470e-01 4.92 -3.051598390e-01 -3.051598390e-01 4.94 -2.963439308e-01 -2.963439308e-01 4.96 -2.877704234e-01 -2.877704234e-01 4.98 -2.794306941e-01 -2.794306941e-01 5.00 -2.713162735e-01 -2.713162735e-01 5.02 -2.634188265e-01 -2.634188265e-01 5.04 -2.557301376e-01 -2.557301376e-01 5.06 -2.482421007e-01 -2.482421007e-01 5.08 -2.409467156e-01 -2.409467156e-01 5.10 -2.338360915e-01 -2.338360915e-01 5.12 -2.269024587e-01 -2.269024587e-01 5.14 -2.201381911e-01 -2.201381911e-01 5.16 -2.135358397e-01 -2.135358397e-01 5.18 -2.070881810e-01 -2.070881810e-01 5.20 -2.007882792e-01 -2.007882792e-01 5.22 -1.946295645e-01 -1.946295645e-01 5.24 -1.886059280e-01 -1.886059280e-01 5.26 -1.827118304e-01 -1.827118304e-01 5.28 -1.769424226e-01 -1.769424226e-01 5.30 -1.712936717e-01 -1.712936717e-01 5.32 -1.657624854e-01 -1.657624854e-01 5.34 -1.603468233e-01 -1.603468233e-01 5.36 -1.550457801e-01 -1.550457801e-01 5.38 -1.498596295e-01 -1.498596295e-01 5.40 -1.447898120e-01 -1.447898120e-01 5.42 -1.398388557e-01 -1.398388557e-01 5.44 -1.350102222e-01 -1.350102222e-01 5.46 -1.303080766e-01 -1.303080766e-01 5.48 -1.257369954e-01 -1.257369954e-01 5.50 -1.213016229e-01 -1.213016229e-01 5.52 -1.170063064e-01 -1.170063064e-01 5.54 -1.128547408e-01 -1.128547408e-01 5.56 -1.088496543e-01 -1.088496543e-01 5.58 -1.049925609e-01 -1.049925609e-01 5.60 -1.012834902e-01 -1.012834902e-01 5.62 -9.772108152e-02 -9.772108152e-02 5.64 -9.430271134e-02 -9.430271134e-02 5.66 -9.102440231e-02 -9.102440231e-02 5.68 -8.788099285e-02 -8.788099285e-02 5.70 -8.486634567e-02 -8.486634567e-02 5.72 -8.197357282e-02 -8.197357282e-02 5.74 -7.919525818e-02 -7.919525818e-02 5.76 -7.652366304e-02 -7.652366304e-02 5.78 -7.395090539e-02 -7.395090539e-02 5.80 -7.146910819e-02 -7.146910819e-02 5.82 -6.907051601e-02 -6.907051601e-02 5.84 -6.674758214e-02 -6.674758214e-02 5.86 -6.449303033e-02 -6.449303033e-02 5.88 -6.229989620e-02 -6.229989620e-02 5.90 -6.016155376e-02 -6.016155376e-02 5.92 -5.807173248e-02 -5.807173248e-02 5.94 -5.602452975e-02 -5.602452975e-02 5.96 -5.401442295e-02 -5.401442295e-02 5.98 -5.203628489e-02 -5.203628489e-02 6.00 -5.008540537e-02 -5.008540537e-02